N-(3-aminopropyl)-5-oxo-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinoline-9-carboxamide;hydrochloride

C16H20ClN3O2S — CID 42606475

IUPACN-(3-aminopropyl)-5-oxo-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinoline-9-carboxamide;hydrochloride
SMILESCl.NCCCNC(=O)c1ccc2[nH]c(=O)c3c(c2c1)CCSC3
InChIInChI=1S/C16H19N3O2S.ClH/c17-5-1-6-18-15(20)10-2-3-14-12(8-10)11-4-7-22-9-13(11)16(21)19-14;/h2-3,8H,1,4-7,9,17H2,(H,18,20)(H,19,21);1H
InChIKeyRBFLJALCQJCMAC-UHFFFAOYSA-N
MW353.88 g/mol
LogP1.82
Rot. Bonds4

About N-(3-aminopropyl)-5-oxo-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinoline-9-carboxamide;hydrochloride

N-(3-aminopropyl)-5-oxo-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinoline-9-carboxamide;hydrochloride (PubChem CID 42606475) has the molecular formula C16H20ClN3O2S and a molecular weight of 353.88 g/mol. Its IUPAC name is N-(3-aminopropyl)-5-oxo-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinoline-9-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminopropyl)-5-oxo-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinoline-9-carboxamide;hydrochloride
PubChem CID42606475
Molecular FormulaC16H20ClN3O2S
Molecular Weight353.88 g/mol
Exact Mass353.10
IUPAC NameN-(3-aminopropyl)-5-oxo-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinoline-9-carboxamide;hydrochloride
SMILESCl.NCCCNC(=O)c1ccc2[nH]c(=O)c3c(c2c1)CCSC3
InChIInChI=1S/C16H19N3O2S.ClH/c17-5-1-6-18-15(20)10-2-3-14-12(8-10)11-4-7-22-9-13(11)16(21)19-14;/h2-3,8H,1,4-7,9,17H2,(H,18,20)(H,19,21);1H
InChIKeyRBFLJALCQJCMAC-UHFFFAOYSA-N
XLogP1.82
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.88
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(3-aminopropyl)-5-oxo-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinoline-9-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-ethenylpentane-1,5-diamine;9-methyl-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one
CID 143802700
N-(4-aminobutyl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 61258712
N-(3-aminopropyl)-3-(1H-indol-2-yl)-2-oxo-1H-quinoline-6-carboxamide
CID 46935281
9-[4-(1-methylpiperidin-4-yl)piperazine-1-carbonyl]-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one
CID 42606245
9-[3-(dimethylamino)prop-1-ynyl]-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one
CID 42605674
N-(3-aminopropyl)naphthalene-2-carboxamide
CID 24691516
N-(3-aminopropyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998692
9-(2-piperidin-1-ylethoxy)-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one;hydrochloride
CID 42606713
N-(3-piperidin-1-ylpropyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 35377516
(6S)-6-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 9119789
4-N-(3-aminopropyl)benzene-1,4-dicarboxamide
CID 11053215
N-(2-aminoethyl)-5,5,7,7-tetramethyl-8-oxo-6,9-dihydrocarbazole-3-carboxamide
CID 71276477

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-5-oxo-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinoline-9-carboxamide;hydrochloride?
The IUPAC name of N-(3-aminopropyl)-5-oxo-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinoline-9-carboxamide;hydrochloride (CID 42606475) is N-(3-aminopropyl)-5-oxo-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinoline-9-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-aminopropyl)-5-oxo-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinoline-9-carboxamide;hydrochloride?
The canonical SMILES for N-(3-aminopropyl)-5-oxo-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinoline-9-carboxamide;hydrochloride is Cl.NCCCNC(=O)c1ccc2[nH]c(=O)c3c(c2c1)CCSC3.
What is the InChIKey of N-(3-aminopropyl)-5-oxo-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinoline-9-carboxamide;hydrochloride?
The InChIKey is RBFLJALCQJCMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S.ClH/c17-5-1-6-18-15(20)10-2-3-14-12(8-10)11-4-7-22-9-13(11)16(21)19-14;/h2-3,8H,1,4-7,9,17H2,(H,18,20)(H,19,21);1H.
What are the key properties of N-(3-aminopropyl)-5-oxo-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinoline-9-carboxamide;hydrochloride?
N-(3-aminopropyl)-5-oxo-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinoline-9-carboxamide;hydrochloride has a molecular weight of 353.88 g/mol, XLogP of 1.82, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-5-oxo-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinoline-9-carboxamide;hydrochloride is sourced from PubChem (CID 42606475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).